Bis(n-propylammonium) tetrachloroplumbate

Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4

“…25,26 In order to investigate the origin of this rather severe distortion present in (FC 2 H 4 NH 3 ) 2 PbCl 4 , electronic structure calculations on the DFT level including spin−orbit coupling were performed. If the origin was due to a sterically active Pb 6s lone pair, we would expect to see hybridization between s and p states at the Fermi level.…”

Synthesis, crystal structure and non-linear optical properties of inorganic–organic hybrid compound based on face-sharing octahedral [PbBr3]∞ chains

“…2, the ½ðPbBr 3 Þ À n chain extending the c direction is consisted of face-sharing ðPbBr 6 Þ octahedra. All the PbABr bond lengths ½2:8666ð7Þ À 3:2454ð8Þ Å, quoted in Table 2, more similar to the sum of ionic radii ðPb 2þ ¼ 1:20 Å; Br À ¼ 1:96 ÅÞ than to the sum of the covalent radii ðPb ¼ 1:47 Å; Br ¼ 1:14 ÅÞ, indicate an essentially ionic character of the metal-halide bond [23], but our complexes are characterized by the presence of very short PbABr bridging bonds ½2:8666 ð7Þ Å. The BrAPbABr bond angles, quoted in Table 3, fall in the range of 76.21 À 179.83°agree well with those observed for other halidelead (II) compounds [24][25][26][27][28].…”

Structural phase transition in the perovskite-type layer compound (C3H7NH3)2PbCl4

“…I n this description, the perovskite layer planes contain the a and c directions. The propylammonium groups are ordered [17], which is in contrast with the ORT phase of manganese and cadmium derivatives (1,4,5,11,14).…”

“…The results show t'he existence of a phase t'ransition a t 339 K, from an orthorhornbic room t'eniperature phase (ORT) to a nionoclinic high temperature phase (MHT) : t,liis behariour is analyzed by group t'heoretica,l methods, in view of ageneral "family tjree" ofperovskite-type layer compounds. The structural determination of t'he ORT phase has been published elsewhere [17].…”